Geometry & MOs

Info

ID:	85723
PubChem CID:	49878498
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	463.157516
ΔH_f, kcal/mol:	-153.66
Dipole, Da:	4.01
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(N3C=CC=CC3=N2)C(=O)O

DOS

IR

Vibrations